2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid

Systemtic Name: 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid Openeye Name: 2-(7-tert-butoxycarbonyl-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl)acetic acid CAS Name: 2-[7-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid IUPAC Name: 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Traditional Name: 2-(7-tert-butoxycarbonyl-3-keto-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl)acetic acid Formula: C25H29NO5 MolecularWeight: 423.50146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC2=C(CN(C(=O)C(C2)CC(=O)O)CCC3=CC=CC=C3)C=C1

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC2=C(CN(C(=O)C(C2)CC(=O)O)CCC3=CC=CC=C3)C=C1

InChI

InChI=1S/C25H29NO5/c1-25(2,3)31-24(30)18-9-10-19-16-26(12-11-17-7-5-4-6-8-17)23(29)21(15-22(27)28)14-20(19)13-18/h4-10,13,21H,11-12,14-16H2,1-3H3,(H,27,28)